| --- |
| dataset_info: |
| features: |
| - name: smiles |
| dtype: string |
| - name: name |
| dtype: string |
| - name: perm (cm/s) |
| dtype: string |
| - name: logP |
| dtype: string |
| - name: doi |
| dtype: string |
| - name: PMID |
| dtype: float64 |
| - name: title |
| dtype: string |
| - name: publisher |
| dtype: string |
| - name: year |
| dtype: int64 |
| - name: access |
| dtype: int64 |
| - name: page |
| dtype: int64 |
| - name: origin |
| dtype: string |
| splits: |
| - name: train |
| num_bytes: 43743 |
| num_examples: 163 |
| download_size: 12127 |
| dataset_size: 43743 |
| configs: |
| - config_name: default |
| data_files: |
| - split: train |
| path: data/train-* |
| license: mit |
| --- |
| |
| Information about the dataset is detailed in the documentation: |
| https://ai-chem.github.io/ChemX/overview/datasets_description.html |
| You can find the Croissant file in our GitHub repository: |
| https://github.com/ai-chem/ChemX/tree/main/datasets/croissants |